在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 11 Reference Ions Near m/z 421.9151
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015491 Reliable 421.9204 421.9204 ~ 421.9205
MzDiff: 0.6 ppm
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
4.71 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000011250 Unreliable 421.9151 421.9151 ~ 421.9151
MzDiff: none
Benzbromarone (BioDeep_00000017954)
Formula: C17H12Br2O3 (421.9153)
1.64 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011281 Unreliable 421.924 421.924 ~ 421.924
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
1.5 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000000215 Unreliable 421.924 421.924 ~ 421.924
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
1.52 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000230 Unreliable 421.9151 421.9151 ~ 421.9151
MzDiff: none
Benzbromarone (BioDeep_00000017954)
Formula: C17H12Br2O3 (421.9153)
1.39 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000013725 Unreliable 421.9202 421.9202 ~ 421.9202
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
0.28 (100%) Plant
[PO:0005417] phloem
MSI_000014524 Unreliable 421.9202 421.9202 ~ 421.9202
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
0.82 (100%) Plant
[PO:0006036] root epidermis
MSI_000019186 Unavailable 421.9202 421.9202 ~ 421.9202
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
-1.07 (100%) Plant
[PO:0020124] root stele
MSI_000019301 Unreliable 421.9202 421.9202 ~ 421.9202
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
1.01 (100%) Plant
[PO:0025197] stele
MSI_000032674 Unreliable 421.9197 421.9197 ~ 421.9197
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
0.6 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000034954 Unavailable 421.9197 421.9197 ~ 421.9197
MzDiff: none
methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate (BioDeep_00002075995)
Formula: C13H13Br2NO5 (420.916)
-0.34 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 5 Sample Hits
Metabolite Species Sample
Benzbromarone

Formula: C17H12Br2O3 (421.9153)
Adducts: [M]+ (Ppm: 0.8)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate

Formula: C13H13Br2NO5 (420.916)
Adducts: [M+H]+ (Ppm: 6.7)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Benzbromarone

Formula: C17H12Br2O3 (421.9153)
Adducts: [M]+ (Ppm: 12.2)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate

Formula: C13H13Br2NO5 (420.916)
Adducts: [M+H]+ (Ppm: 8.6)
Posidonia oceanica (root)
20190614_MS1_A19r-20
Resolution: 17μm, 262x276

Description

Seagrasses are one of the most efficient natural sinks of carbon dioxide (CO2) on Earth. Despite covering less than 0.1% of coastal regions, they have the capacity to bury up to 10% of marine organic matter and can bury the same amount of carbon 35 times faster than tropical rainforests. On land, the soil’s ability to sequestrate carbon is intimately linked to microbial metabolism. Despite the growing attention to the link between plant production, microbial communities, and the carbon cycle in terrestrial ecosystems, these processes remain enigmatic in the sea. Here, we show that seagrasses excrete organic sugars, namely in the form of sucrose, into their rhizospheres. Surprisingly, the microbial communities living underneath meadows do not fully use this sugar stock in their metabolism. Instead, sucrose piles up in the sediments to mM concentrations underneath multiple types of seagrass meadows. Sediment incubation experiments show that microbial communities living underneath a meadow use sucrose at low metabolic rates. Our metagenomic analyses revealed that the distinct community of microorganisms occurring underneath meadows is limited in their ability to degrade simple sugars, which allows these compounds to persist in the environment over relatively long periods of time. Our findings reveal how seagrasses form blue carbon stocks despite the relatively small area they occupy. Unfortunately, anthropogenic disturbances are threatening the long-term persistence of seagrass meadows. Given that these sediments contain a large stock of sugars that heterotopic bacteria can degrade, it is even more important to protect these ecosystems from degradation.

methyl 1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate

Formula: C13H13Br2NO5 (420.916)
Adducts: [M+H]+ (Ppm: 6.7)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description